4-chloro-2,3-difluoro-6-methoxyaniline

C7H6ClF2NO — CID 170781389

IUPAC4-chloro-2,3-difluoro-6-methoxyaniline
SMILESCOc1cc(Cl)c(F)c(F)c1N
InChIInChI=1S/C7H6ClF2NO/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2H,11H2,1H3
InChIKeyXSNCAXGBBQSQDE-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.21
Rot. Bonds1

About 4-chloro-2,3-difluoro-6-methoxyaniline

4-chloro-2,3-difluoro-6-methoxyaniline (PubChem CID 170781389) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 4-chloro-2,3-difluoro-6-methoxyaniline.

Molecular Properties

Compound Name4-chloro-2,3-difluoro-6-methoxyaniline
PubChem CID170781389
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name4-chloro-2,3-difluoro-6-methoxyaniline
SMILESCOc1cc(Cl)c(F)c(F)c1N
InChIInChI=1S/C7H6ClF2NO/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2H,11H2,1H3
InChIKeyXSNCAXGBBQSQDE-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-difluoro-6-methoxyaniline?
The IUPAC name of 4-chloro-2,3-difluoro-6-methoxyaniline (CID 170781389) is 4-chloro-2,3-difluoro-6-methoxyaniline.
What is the SMILES notation for 4-chloro-2,3-difluoro-6-methoxyaniline?
The canonical SMILES for 4-chloro-2,3-difluoro-6-methoxyaniline is COc1cc(Cl)c(F)c(F)c1N.
What is the InChIKey of 4-chloro-2,3-difluoro-6-methoxyaniline?
The InChIKey is XSNCAXGBBQSQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2H,11H2,1H3.
What are the key properties of 4-chloro-2,3-difluoro-6-methoxyaniline?
4-chloro-2,3-difluoro-6-methoxyaniline has a molecular weight of 193.58 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-difluoro-6-methoxyaniline is sourced from PubChem (CID 170781389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).